16774 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 16 16 15 8 8 8 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 5 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 13 13 13 14 14 14 15 15 15 16 16 16 3 11 3 4 5 13 14 12 8 12 18 9 10 17 19 20 21 22 23 24 12 25 26 15 27 28 16 29 30 31 32 33 34 35 36 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 5.4641 5.0981 4.5981 3.732 4.0981 7.1962 8.0622 8.9282 9.7942 8.9282 6.3301 7.1962 2.866 4.5981 2 4.0981 8.9282 8.0622 9.4842 10.3312 10.1042 9.5482 8.9282 8.3082 5.9316 6.7287 3.2646 2.4675 5.073 5.073 1.69 1.4631 2.31 4.635 3.7881 3.5611 -0.366 -1.732 -0.866 -1.366 0 0.634 -0.866 -0.366 -0.866 0.634 -0.866 -0.366 -0.866 0.866 -1.366 1.732 -0.986 -1.486 -1.403 -1.176 -0.3291 0.634 1.254 0.634 -1.341 -1.341 -0.3911 -0.3911 0.4675 1.2646 -0.8291 -1.676 -1.903 2.042 2.269 1.422 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 251 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0723002600000000000000000000000000000000000000000000000000000000000001E04100020000828E5C006820002C001100800011010000000000000000000800800000000000000000000000016008000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-diethoxyphosphinothioylsulfanyl-N-isopropyl-acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(diethoxyphosphinothioylthio)-N-propan-2-ylacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-diethoxyphosphinothioylsulfanyl-<I>N</I>-propan-2-ylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-diethoxyphosphinothioylsulfanyl-N-propan-2-ylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-diethoxyphosphinothioylsulfanyl-N-propan-2-yl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(diethoxythiophosphorylthio)-N-isopropyl-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C9H20NO3PS2/c1-5-12-14(15,13-6-2)16-7-9(11)10-8(3)4/h8H,5-7H2,1-4H3,(H,10,11) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QTXHFDHVLBDJIO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 285.06222284 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C9H20NO3PS2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 285.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOP(=S)(OCC)SCC(=O)NC(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOP(=S)(OCC)SCC(=O)NC(C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 105 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 285.06222284 16 0 0 0 0 0 0 0 1 -1